Geometry & MOs

Info

ID:	297894
PubChem CID:	117636409
Reduced:	O2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	409.18017
ΔH_f, kcal/mol:	-91.86
Dipole, Da:	0.59
IP(EA), eV:	-8.25(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-fluoro-1,3-dihydroisoindol-2-yl)phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCC(=C)/C=C(\C1=COC(C2=C1CC(CC2)C)(C)C)/O

DOS

IR

Vibrations